SCHEMBL8063507

SCHEMBL8063507

CCOC(Cc1ccc(OCCN(C)c2ccccn2)cc1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.55
PPARA Q07869 7/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
EGFR P00533 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
TSHR P16473 1/20 0.55
ADRA2B P18089 1/20 0.55
NFKB1 P19838 1/20 0.55
TACR2 P21452 1/20 0.55
SLC6A2 P23975 1/20 0.55
TBXAS1 P24557 1/20 0.55
ADORA2A P29274 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8058694 0.91 PPARG (0.59) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL8063445 0.90 PPARG (0.67) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL9390236 0.87 PPARG (0.60) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL9087772 0.85 PPARG (0.58) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL3535841 0.82 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL3535840 0.82 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL3535837 0.82 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL9390256 0.82 PPARG (0.66) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL7926636 0.82 PPARG (0.54) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL4027888 0.81 PPARG (0.52) PPARGPPARAMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000938-A1 Heterocyclic compounds as pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
US-6048883-A HYPOGLYCEMIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0648212-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1995-04-19 EP disclosed
WO-1994001420-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1994-01-20 WO disclosed